4-[(5-ethyl-3-methoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(5-ethyl-3-methoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-ethyl-3-methoxycarbonyl-4-phenyl-2-thienyl)amino]-4-oxo-butanoate CAS Name: 4-[(5-ethyl-3-methoxycarbonyl-4-phenyl-2-thiophenyl)amino]-4-oxobutanoate IUPAC Name: 4-[(5-ethyl-3-methoxycarbonyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbomethoxy-5-ethyl-4-phenyl-2-thienyl)amino]-4-keto-butyrate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-3-12-15(11-7-5-4-6-8-11)16(18(23)24-2)17(25-12)19-13(20)9-10-14(21)22/h4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22)/p-1