[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H24ClNO3S/c22-17-11-5-7-15-8-6-12-18(21(15)17)27-14-20(25)26-13-19(24)23-16-9-3-1-2-4-10-16/h5-8,11-12,16H,1-4,9-10,13-14H2,(H,23,24)