[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C3=CC=CN3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C3=CC=CN3

InChI

InChI=1S/C16H13NO3S/c1-10-11-5-2-3-7-14(11)21-15(10)13(18)9-20-16(19)12-6-4-8-17-12/h2-8,17H,9H2,1H3