methyl 2-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H18ClNO4S/c1-24-18(23)13(11-12-5-3-2-4-6-12)20-17(22)10-7-14(21)15-8-9-16(19)25-15/h2-6,8-9,13H,7,10-11H2,1H3,(H,20,22)