(phenylmethyl) 3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: benzyl 3-methyl-4-oxo-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 4-keto-3-methyl-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid benzyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19NO3S/c1-13-19-16(10-15(11-17(19)23)18-8-5-9-26-18)22-20(13)21(24)25-12-14-6-3-2-4-7-14/h2-9,15,22H,10-12H2,1H3