[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C20H26N2O4S/c23-18(21-12-15-6-2-1-3-7-15)13-26-20(25)10-11-22-16-8-4-5-9-17(16)27-14-19(22)24/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,23)