(E)-4-oxidanylidene-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-[benzyl(2-thienylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-[benzyl(thiophen-2-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[benzyl(2-thenyl)amino]-4-keto-but-2-enoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H15NO3S/c18-15(8-9-16(19)20)17(12-14-7-4-10-21-14)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,20)/b9-8+