[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-furancarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S/c1-13-6-8-14(9-7-13)22-19(24)12-26-21(25)17-11-10-16(27-17)20-23-15-4-2-3-5-18(15)28-20/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,22,24)