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

Systemtic Name: (E)-4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C=CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O4S/c1-10-12(9-11-5-3-2-4-6-11)24-17(15(10)16(18)23)19-13(20)7-8-14(21)22/h2-8H,9H2,1H3,(H2,18,23)(H,19,20)(H,21,22)/b8-7+