methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]butanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)SC4=CC=CC(=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)SC4=CC=CC(=C4)N

InChI

InChI=1S/C26H28N2O3S2/c1-3-21(32-19-11-7-10-18(27)15-19)24(29)28-25-23(26(30)31-2)20-13-12-17(14-22(20)33-25)16-8-5-4-6-9-16/h4-11,15,17,21H,3,12-14,27H2,1-2H3,(H,28,29)