4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-benzyl-3-methoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-butanoate CAS Name: 4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[(5-benzyl-3-methoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-benzyl-3-carbomethoxy-4-methyl-2-thienyl)amino]-4-keto-butyrate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/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/h3-7H,8-10H2,1-2H3,(H,19,20)(H,21,22)/p-1