methyl 3-[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=C(SC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C24H21N3O4S2/c1-30-16-7-5-6-15(12-16)20-13-22(27-18-9-4-3-8-17(18)25-20)33-14-21(28)26-19-10-11-32-23(19)24(29)31-2/h3-12H,13-14H2,1-2H3,(H,26,28)