methyl 3-[[4-(5-methylthiophen-2-yl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(5-methylthiophen-2-yl)carbonyl-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(5-methylthiophene-2-carbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3-[[4-[(5-methyl-2-thiophenyl)-oxomethyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-methylthiophene-2-carbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3-[[7-keto-4-(5-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-14-6-7-17(27-14)19(24)21-9-8-18(23)22(11-10-21)13-15-4-3-5-16(12-15)20(25)26-2/h3-7,12H,8-11,13H2,1-2H3