ethyl 6-methyl-3-(phenylcarbonyl)-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 6-methyl-3-(phenylcarbonyl)-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-6-methyl-1-prop-2-ynylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-(prop-2-ynylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-prop-2-ynylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-6-methyl-1-(propargylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H19NO3S2 MolecularWeight: 433.54256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO3S2/c1-4-13-29-24-20-19(22(30-24)21(26)16-9-7-6-8-10-16)18(23(27)28-5-2)17-14-15(3)11-12-25(17)20/h1,6-12,14H,5,13H2,2-3H3