[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-keto-ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=C(C2)C=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=C(C2)C=CS3)C

InChI

InChI=1S/C18H19NO3S/c1-12-3-4-14(9-13(12)2)18(21)22-11-17(20)19-7-5-16-15(10-19)6-8-23-16/h3-4,6,8-9H,5,7,10-11H2,1-2H3