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

Systemtic Name: heptyl 3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C

InChI

InChI=1S/C21H27NO3S/c1-3-4-5-6-7-10-25-21(24)20-14(2)19-16(22-20)12-15(13-17(19)23)18-9-8-11-26-18/h8-9,11,15,22H,3-7,10,12-13H2,1-2H3