[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C22H20ClNO4S2 MolecularWeight: 461.9815

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C22H20ClNO4S2/c1-14(25)24-11-10-16-8-9-19(30-16)18(26)12-28-21(27)13-29-20-7-3-5-15-4-2-6-17(23)22(15)20/h2-9H,10-13H2,1H3,(H,24,25)