[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C21H25NO3S/c1-12-4-7-19-15(8-12)10-20(26-19)21(24)25-11-18(23)17-9-13(2)22(14(17)3)16-5-6-16/h9-10,12,16H,4-8,11H2,1-3H3/t12-/m1/s1