[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19NO5S/c1-11-2-4-13-14(9-26-17(13)6-11)19(22)23-8-18(21)20-12-3-5-15-16(7-12)25-10-24-15/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,20,21)/t11-/m0/s1