methyl 2-(6-acetamido-2-cyclohexylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(6-acetamido-2-cyclohexylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-[6-acetamido-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[cyclohexyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCC3)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCC3)S2)CC(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-12(23)20-14-8-9-15-16(10-14)27-19(22(15)11-17(24)26-2)21-18(25)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,20,23)