methyl 4-methyl-2-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-4-methyl-2-[(5-nitro-2-oxo-indol-3-yl)amino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[(5-nitro-2-oxo-3-indolyl)amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-4-methyl-2-[(5-nitro-2-oxoindol-3-yl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-keto-5-nitro-indol-3-yl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O5S/c1-12-17(10-13-6-4-3-5-7-13)31-21(18(12)22(27)30-2)24-19-15-11-14(25(28)29)8-9-16(15)23-20(19)26/h3-9,11H,10H2,1-2H3,(H,23,24,26)