methyl 2-[(6-methyl-3-nitro-1H-indol-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(6-methyl-3-nitro-1H-indol-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(6-methyl-3-nitro-1H-indol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-methyl-3-nitro-1H-indol-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(6-methyl-3-nitro-1H-indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-methyl-3-nitro-1H-indol-2-yl)thio]acetic acid methyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)SCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)SCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4S/c1-7-3-4-8-9(5-7)13-12(11(8)14(16)17)19-6-10(15)18-2/h3-5,13H,6H2,1-2H3