2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitro-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitro-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitro-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-nitro-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitroindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-nitro-indol-1-yl]acetic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O4S/c1-10-17(25-12-7-5-11(18)6-8-12)16-13(19(10)9-15(21)22)3-2-4-14(16)20(23)24/h2-8H,9H2,1H3,(H,21,22)