ethyl 3-(phenylcarbonyl)-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(phenylcarbonyl)-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(prop-2-ynylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-prop-2-ynylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(propargylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H17NO3S2 MolecularWeight: 419.51598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC#C

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC#C

InChI

InChI=1S/C23H17NO3S2/c1-3-14-28-23-19-18(21(29-23)20(25)15-10-6-5-7-11-15)17(22(26)27-4-2)16-12-8-9-13-24(16)19/h1,5-13H,4,14H2,2H3