(3,4-dimethylcyclohexyl) 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3,4-dimethylcyclohexyl) 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (3,4-dimethylcyclohexyl) 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid (3,4-dimethylcyclohexyl) ester IUPAC Name: (3,4-dimethylcyclohexyl) 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]butyric acid (3,4-dimethylcyclohexyl) ester Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C20H26N2O4S/c1-12-4-5-15(10-13(12)2)26-19(24)9-8-18(23)22-20-21-16-7-6-14(25-3)11-17(16)27-20/h6-7,11-13,15H,4-5,8-10H2,1-3H3,(H,21,22,23)