methyl 3-[(5-chloranylthiophen-2-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[(5-chloranylthiophen-2-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[(5-chlorothiophene-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(5-chlorothiophene-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[(5-chlorothiophene-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(S2)Cl)OC

InChI

InChI=1S/C17H18ClNO5S/c1-22-12-5-4-10(8-13(12)23-2)11(9-16(20)24-3)19-17(21)14-6-7-15(18)25-14/h4-8,11H,9H2,1-3H3,(H,19,21)