[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H22N2O4S/c1-16-23(18-10-5-6-11-19(18)26-16)21(28)15-31-25(30)20(14-17-8-3-2-4-9-17)27-24(29)22-12-7-13-32-22/h2-13,20,26H,14-15H2,1H3,(H,27,29)