[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO6S/c1-23-12-4-3-10(7-13(12)24-2)17(22)19-8-16(21)25-9-11(20)14-5-6-15(18)26-14/h3-7H,8-9H2,1-2H3,(H,19,22)