ethyl 2-[2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H31N3O5S3 MolecularWeight: 561.73644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC

InChI

InChI=1S/C26H31N3O5S3/c1-4-29-18-12-11-16(33-3)13-20(18)37-26(29)28-22(31)15-35-14-21(30)27-24-23(25(32)34-5-2)17-9-7-6-8-10-19(17)36-24/h11-13H,4-10,14-15H2,1-3H3,(H,27,30)