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

Systemtic Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-5-(2-thiophen-2-ylethanoylamino)-1H-indol-4-yl]pent-4-ynoic acid Openeye Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-5-[[2-(2-thienyl)acetyl]amino]indolin-4-yl]pent-4-ynoic acid CAS Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-1H-indol-4-yl]-4-pentynoic acid IUPAC Name: 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-4-yl]pent-4-ynoic acid Traditional Name: 5-[(3Z)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-[[2-(2-thienyl)acetyl]amino]indolin-4-yl]pent-4-ynoic acid Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C#CCCC(=O)O)NC(=O)CC4=CC=CS4)NC2=O

Isomeric SMILES

COC1=C(NC=C1)/C=C\2/C3=C(C=CC(=C3C#CCCC(=O)O)NC(=O)CC4=CC=CS4)NC2=O

InChI

InChI=1S/C25H21N3O5S/c1-33-21-10-11-26-20(21)14-17-24-16(6-2-3-7-23(30)31)18(8-9-19(24)28-25(17)32)27-22(29)13-15-5-4-12-34-15/h4-5,8-12,14,26H,3,7,13H2,1H3,(H,27,29)(H,28,32)(H,30,31)/b17-14-