methyl 3-[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(5-chloro-2-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(5-chloro-2-thienyl)-4-keto-butanoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H18ClNO6S MolecularWeight: 423.86732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO6S/c1-11-3-4-12(19(25)26-2)9-13(11)21-17(23)10-27-18(24)8-5-14(22)15-6-7-16(20)28-15/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,21,23)