4-(2-carboxyethyl)-3-methyl-5-[(E)-(2-oxidanylidene-5-sulfamoyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2-carboxyethyl)-3-methyl-5-[(E)-(2-oxidanylidene-5-sulfamoyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2-carboxyethyl)-3-methyl-5-[(E)-(2-oxo-5-sulfamoyl-indolin-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2-carboxyethyl)-3-methyl-5-[(E)-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-carboxyethyl)-3-methyl-5-[(E)-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2-carboxyethyl)-5-[(E)-(2-keto-5-sulfamoyl-indolin-3-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C=C2C3=C(C=CC(=C3)S(=O)(=O)N)NC2=O)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)/C=C/2\C3=C(C=CC(=C3)S(=O)(=O)N)NC2=O)C(=O)O

InChI

InChI=1S/C18H17N3O7S/c1-8-10(3-5-15(22)23)14(20-16(8)18(25)26)7-12-11-6-9(29(19,27)28)2-4-13(11)21-17(12)24/h2,4,6-7,20H,3,5H2,1H3,(H,21,24)(H,22,23)(H,25,26)(H2,19,27,28)/b12-7+