methyl 3-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-chlorobenzoate Traditional Name: 3-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)C2=CC=CS2

InChI

InChI=1S/C17H17ClN2O4S/c1-10(21)19-14(15-4-3-7-25-15)9-16(22)20-13-8-11(17(23)24-2)5-6-12(13)18/h3-8,14H,9H2,1-2H3,(H,19,21)(H,20,22)