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

Systemtic Name: methyl 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-5-(2-thiophen-2-ylethanoylamino)-1H-indol-4-yl]pent-4-ynoate Openeye Name: methyl 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-5-[[2-(2-thienyl)acetyl]amino]indolin-4-yl]pent-4-ynoate 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 methyl ester IUPAC Name: methyl 5-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-5-[(2-thiophen-2-ylacetyl)amino]-1H-indol-4-yl]pent-4-ynoate 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 methyl ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O5S/c1-33-22-11-12-27-21(22)15-18-25-17(7-3-4-8-24(31)34-2)19(9-10-20(25)29-26(18)32)28-23(30)14-16-6-5-13-35-16/h5-6,9-13,15,27H,4,8,14H2,1-2H3,(H,28,30)(H,29,32)/b18-15-