methyl 4-[2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H18N4O5S/c1-28-18(26)13-9-12(10-21-13)14-11-30-19(22-14)23-17(25)7-4-8-24-15-5-2-3-6-16(15)29-20(24)27/h2-3,5-6,9-11,21H,4,7-8H2,1H3,(H,22,23,25)