(E)-4-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-carbamoyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC(=O)O)C(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O4S/c1-9-13(10-5-3-2-4-6-10)14(15(17)22)16(23-9)18-11(19)7-8-12(20)21/h2-8H,1H3,(H2,17,22)(H,18,19)(H,20,21)/b8-7+