2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid; ethyl (2R)-2-azanyl-3-sulfanyl-propanoate

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid; ethyl (2R)-2-azanyl-3-sulfanyl-propanoate Openeye Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; ethyl (2R)-2-amino-3-sulfanyl-propanoate CAS Name: (2R)-2-amino-3-mercaptopropanoic acid ethyl ester; 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; ethyl (2R)-2-amino-3-sulfanylpropanoate Traditional Name: (2R)-2-amino-3-mercapto-propionic acid ethyl ester; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C24H27ClN2O6S MolecularWeight: 506.99898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)N.CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CS)N.CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C19H16ClNO4.C5H11NO2S/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;1-2-8-5(7)4(6)3-9/h3-9H,10H2,1-2H3,(H,22,23);4,9H,2-3,6H2,1H3/t;4-/m.0/s1