3-methoxy-4-[[6-(2-thiophen-2-ylethanoylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(2-thiophen-2-ylethanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-[[2-(2-thienyl)acetyl]amino]indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-[(2-thiophen-2-ylacetyl)amino]indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-[[2-(2-thienyl)acetyl]amino]indol-1-yl]methyl]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C23H20N2O4S/c1-29-21-11-16(23(27)28)4-5-17(21)14-25-9-8-15-6-7-18(12-20(15)25)24-22(26)13-19-3-2-10-30-19/h2-12H,13-14H2,1H3,(H,24,26)(H,27,28)