(2-acetamido-1,3-thiazol-4-yl)methyl 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(indoline-1-carbonyl)cyclohexanecarboxylate CAS Name: 2-[2,3-dihydroindol-1-yl(oxo)methyl]-1-cyclohexanecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: 2-(indoline-1-carbonyl)cyclohexanecarboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2CCCCC2C(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2CCCCC2C(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O4S/c1-14(26)23-22-24-16(13-30-22)12-29-21(28)18-8-4-3-7-17(18)20(27)25-11-10-15-6-2-5-9-19(15)25/h2,5-6,9,13,17-18H,3-4,7-8,10-12H2,1H3,(H,23,24,26)