methyl 3-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(8-chloro-1-naphthyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H18ClNO3S/c1-13-9-10-15(21(25)26-2)11-17(13)23-19(24)12-27-18-8-4-6-14-5-3-7-16(22)20(14)18/h3-11H,12H2,1-2H3,(H,23,24)