ethyl 2-[[1-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[[1-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[[1-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: 2-[[[1-[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: 2-[[1-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]prolyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C29H32ClN3O6S MolecularWeight: 586.09888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1CCCN1C(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C(CS)NC(=O)C1CCCN1C(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C29H32ClN3O6S/c1-4-39-29(37)23(16-40)31-27(35)25-6-5-13-32(25)26(34)15-21-17(2)33(24-12-11-20(38-3)14-22(21)24)28(36)18-7-9-19(30)10-8-18/h7-12,14,23,25,40H,4-6,13,15-16H2,1-3H3,(H,31,35)