[(E)-but-2-enyl] (6R)-3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: [(E)-but-2-enyl] (6R)-3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: [(E)-but-2-enyl] (6R)-3-methyl-4-oxo-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-4-keto-3-methyl-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid [(E)-but-2-enyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/COC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=CS3)C

InChI

InChI=1S/C18H19NO3S/c1-3-4-7-22-18(21)17-11(2)16-13(19-17)9-12(10-14(16)20)15-6-5-8-23-15/h3-6,8,12,19H,7,9-10H2,1-2H3/b4-3+/t12-/m1/s1