methyl 6-(2-chloroethyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: methyl 6-(2-chloroethyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: methyl 6-(2-chloroethyl)-2-methyl-5-oxo-4-(2-thienyl)-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 6-(2-chloroethyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloroethyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 6-(2-chloroethyl)-5-keto-2-methyl-4-(2-thienyl)-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid methyl ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CN(C2=O)CCCl)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CN(C2=O)CCCl)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C16H17ClN2O3S/c1-9-12(16(21)22-2)14(11-4-3-7-23-11)13-10(18-9)8-19(6-5-17)15(13)20/h3-4,7,14,18H,5-6,8H2,1-2H3