[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC=C)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC=C)C)C=C1

InChI

InChI=1S/C21H23NO3S/c1-5-8-22-14(3)10-17(15(22)4)18(23)12-25-21(24)20-11-16-7-6-13(2)9-19(16)26-20/h5-7,9-10,20H,1,8,11-12H2,2-4H3