[2-[[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate

Systemtic Name: [2-[[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate Openeye Name: [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O4S/c1-11-6-7-13-16(8-11)29-20(18(13)19(22)26)24-17(25)10-28-21(27)14-9-23-15-5-3-2-4-12(14)15/h2-5,9,11,23H,6-8,10H2,1H3,(H2,22,26)(H,24,25)/t11-/m1/s1