cycloheptyl 3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: cycloheptyl 3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cycloheptyl 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 cycloheptyl ester IUPAC Name: cycloheptyl 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 cycloheptyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CS3)C(=O)OC4CCCCCC4

InChI

InChI=1S/C21H25NO3S/c1-13-19-16(11-14(12-17(19)23)18-9-6-10-26-18)22-20(13)21(24)25-15-7-4-2-3-5-8-15/h6,9-10,14-15,22H,2-5,7-8,11-12H2,1H3