ethyl 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]ethanoate Openeye Name: ethyl 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]acetate CAS Name: 2-[4-acetamido-3-[(4-chlorophenyl)thio]-2-methyl-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetate Traditional Name: 2-[4-acetamido-3-[(4-chlorophenyl)thio]-2-methyl-indol-1-yl]acetic acid ethyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=C1C=CC=C2NC(=O)C)SC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=C1C=CC=C2NC(=O)C)SC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O3S/c1-4-27-19(26)12-24-13(2)21(28-16-10-8-15(22)9-11-16)20-17(23-14(3)25)6-5-7-18(20)24/h5-11H,4,12H2,1-3H3,(H,23,25)