5-[2-azanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-2-sulfanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[2-azanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-2-sulfanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-[2-amino-1-(tert-butoxycarbonylamino)-1-phenyl-2-thioxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-[2-amino-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenyl-2-sulfanylideneethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-[2-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-2-sulfanylideneethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-[2-amino-1-(tert-butoxycarbonylamino)-1-phenyl-2-thioxo-ethyl]-1H-indole-2-carboxylic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)(C2=CC3=C(C=C2)NC(=C3)C(=O)O)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)(C2=CC3=C(C=C2)NC(=C3)C(=O)O)C(=S)N

InChI

InChI=1S/C22H23N3O4S/c1-21(2,3)29-20(28)25-22(19(23)30,14-7-5-4-6-8-14)15-9-10-16-13(11-15)12-17(24-16)18(26)27/h4-12,24H,1-3H3,(H2,23,30)(H,25,28)(H,26,27)