[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-phenylcyclobutane-1-carboxylate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-phenylcyclobutane-1-carboxylate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 1-phenylcyclobutanecarboxylate CAS Name: 1-phenyl-1-cyclobutanecarboxylic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate Traditional Name: 1-phenylcyclobutanecarboxylic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3(CCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3(CCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-14-8-9-16-17(12-14)27-20(22-16)23-18(24)13-26-19(25)21(10-5-11-21)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,23,24)