[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-cyclopropyl-5-methoxy-2-methyl-indole-3-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-cyclopropyl-5-methoxy-2-methyl-indole-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 1-cyclopropyl-5-methoxy-2-methyl-indole-3-carboxylate CAS Name: 1-cyclopropyl-5-methoxy-2-methyl-3-indolecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate Traditional Name: 1-cyclopropyl-5-methoxy-2-methyl-indole-3-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(N(C3=C2C=C(C=C3)OC)C4CC4)C

InChI

InChI=1S/C25H28N2O4S/c1-16-4-9-20(10-5-16)32-13-12-26-23(28)15-31-25(29)24-17(2)27(18-6-7-18)22-11-8-19(30-3)14-21(22)24/h4-5,8-11,14,18H,6-7,12-13,15H2,1-3H3,(H,26,28)