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

Systemtic Name: methyl 2-[2-(4-aminophenyl)carbonyloxybutanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-aminobenzoyl)oxybutanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)-oxomethoxy]-1-oxobutyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-aminobenzoyl)oxybutanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-aminobenzoyl)oxybutanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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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)OC(=O)C4=CC=C(C=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5S/c1-3-21(34-26(31)17-9-12-19(28)13-10-17)24(30)29-25-23(27(32)33-2)20-14-11-18(15-22(20)35-25)16-7-5-4-6-8-16/h4-10,12-13,18,21H,3,11,14-15,28H2,1-2H3,(H,29,30)