2-[7-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-phenyl-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[7-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-phenyl-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[7-[(1,1-dioxothian-4-yl)amino]-2-phenyl-1H-indol-5-yl]acetic acid CAS Name: 2-[7-[(1,1-dioxo-4-thianyl)amino]-2-phenyl-1H-indol-5-yl]acetic acid IUPAC Name: 2-[7-[(1,1-dioxothian-4-yl)amino]-2-phenyl-1H-indol-5-yl]acetic acid Traditional Name: 2-[7-[(1,1-diketothian-4-yl)amino]-2-phenyl-1H-indol-5-yl]acetic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=C3C(=CC(=C2)CC(=O)O)C=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=C3C(=CC(=C2)CC(=O)O)C=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S/c24-20(25)12-14-10-16-13-18(15-4-2-1-3-5-15)23-21(16)19(11-14)22-17-6-8-28(26,27)9-7-17/h1-5,10-11,13,17,22-23H,6-9,12H2,(H,24,25)