4-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-benzyl-3-ethoxycarbonyl-2-thienyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[3-ethoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-benzyl-3-ethoxycarbonylthiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5-benzyl-3-carbethoxy-2-thienyl)amino]-4-keto-butyric acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H19NO5S/c1-2-24-18(23)14-11-13(10-12-6-4-3-5-7-12)25-17(14)19-15(20)8-9-16(21)22/h3-7,11H,2,8-10H2,1H3,(H,19,20)(H,21,22)