(6S)-2-[2-(1H-indol-3-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6S)-2-[2-(1H-indol-3-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C20H19N2O3S- MolecularWeight: 367.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H20N2O3S/c1-11-6-7-14-16(8-11)26-19(18(14)20(24)25)22-17(23)9-12-10-21-15-5-3-2-4-13(12)15/h2-5,10-11,21H,6-9H2,1H3,(H,22,23)(H,24,25)/p-1/t11-/m0/s1