(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3(CCCCC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3(CCCCC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H26N2O5S/c1-17(30)28-19-9-10-20-18(13-25(31)34-22(20)14-19)16-33-26(32)27(11-5-2-6-12-27)15-24-29-21-7-3-4-8-23(21)35-24/h3-4,7-10,13-14H,2,5-6,11-12,15-16H2,1H3,(H,28,30)