4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-5-(2-thiophen-2-ylethanoylamino)-1H-indol-4-yl]benzoic acid

Systemtic Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-5-(2-thiophen-2-ylethanoylamino)-1H-indol-4-yl]benzoic acid Openeye Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-5-[[2-(2-thienyl)acetyl]amino]indolin-4-yl]benzoic acid CAS Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-1H-indol-4-yl]benzoic acid IUPAC Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-4-yl]benzoic acid Traditional Name: 4-[(3Z)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-[[2-(2-thienyl)acetyl]amino]indolin-4-yl]benzoic acid Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C4=CC=C(C=C4)C(=O)O)NC(=O)CC5=CC=CS5)NC2=O

Isomeric SMILES

COC1=C(NC=C1)/C=C\2/C3=C(C=CC(=C3C4=CC=C(C=C4)C(=O)O)NC(=O)CC5=CC=CS5)NC2=O

InChI

InChI=1S/C27H21N3O5S/c1-35-22-10-11-28-21(22)14-18-25-20(30-26(18)32)9-8-19(29-23(31)13-17-3-2-12-36-17)24(25)15-4-6-16(7-5-15)27(33)34/h2-12,14,28H,13H2,1H3,(H,29,31)(H,30,32)(H,33,34)/b18-14-