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

Systemtic Name: (E)-4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)amino]-4-keto-but-2-enoate Formula: C17H15N2O4S- MolecularWeight: 343.377

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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)/p-1/b8-7+