ethyl 3-methyl-1-[2-(1,3-thiazol-2-ylamino)ethanoylamino]-2H-isoindole-5-carboxylate

Systemtic Name: ethyl 3-methyl-1-[2-(1,3-thiazol-2-ylamino)ethanoylamino]-2H-isoindole-5-carboxylate Openeye Name: ethyl 3-methyl-1-[[2-(thiazol-2-ylamino)acetyl]amino]-2H-isoindole-5-carboxylate CAS Name: 3-methyl-1-[[1-oxo-2-(2-thiazolylamino)ethyl]amino]-2H-isoindole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-1-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-2H-isoindole-5-carboxylate Traditional Name: 3-methyl-1-[[2-(thiazol-2-ylamino)acetyl]amino]-2H-isoindole-5-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(NC(=C2C=C1)NC(=O)CNC3=NC=CS3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(NC(=C2C=C1)NC(=O)CNC3=NC=CS3)C

InChI

InChI=1S/C17H18N4O3S/c1-3-24-16(23)11-4-5-12-13(8-11)10(2)20-15(12)21-14(22)9-19-17-18-6-7-25-17/h4-8,20H,3,9H2,1-2H3,(H,18,19)(H,21,22)