ethyl 2-[2-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]thio]-1-oxoethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H33N3O6S3 MolecularWeight: 603.77312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

InChI

InChI=1S/C28H33N3O6S3/c1-5-31-19-11-9-17(26(34)36-6-2)13-21(19)40-28(31)30-23(33)15-38-14-22(32)29-25-24(27(35)37-7-3)18-10-8-16(4)12-20(18)39-25/h9,11,13,16H,5-8,10,12,14-15H2,1-4H3,(H,29,32)