ethyl 3-(3,5-dimethylphenyl)sulfanyl-5-nitro-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(3,5-dimethylphenyl)sulfanyl-5-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 3-(3,5-dimethylphenyl)sulfanyl-5-nitro-1H-indole-2-carboxylate CAS Name: 3-[(3,5-dimethylphenyl)thio]-5-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,5-dimethylphenyl)sulfanyl-5-nitro-1H-indole-2-carboxylate Traditional Name: 3-[(3,5-dimethylphenyl)thio]-5-nitro-1H-indole-2-carboxylic acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C19H18N2O4S/c1-4-25-19(22)17-18(26-14-8-11(2)7-12(3)9-14)15-10-13(21(23)24)5-6-16(15)20-17/h5-10,20H,4H2,1-3H3