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

Systemtic Name: (E)-4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(5-benzyl-3-methoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(5-benzyl-3-methoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(5-benzyl-3-carbomethoxy-4-methyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-11-13(10-12-6-4-3-5-7-12)25-17(16(11)18(23)24-2)19-14(20)8-9-15(21)22/h3-9H,10H2,1-2H3,(H,19,20)(H,21,22)/b9-8+