ethyl 2-methylsulfanyl-1-nitro-pyrrolo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-1-nitro-pyrrolo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-methylsulfanyl-1-nitro-pyrrolo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-(methylthio)-1-nitro-3-pyrrolo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-1-nitropyrrolo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-(methylthio)-1-nitro-pyrrol[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC3=CC=CC=C32)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC3=CC=CC=C32)[N+](=O)[O-])SC

InChI

InChI=1S/C16H14N2O4S/c1-3-22-16(19)14-15(23-2)13(18(20)21)12-11-7-5-4-6-10(11)8-9-17(12)14/h4-9H,3H2,1-2H3