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

Systemtic Name: methyl 2-(6-acetamido-2-cyclopropylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-[6-acetamido-2-(cyclopropanecarbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[cyclopropyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(cyclopropanecarbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(cyclopropanecarbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)CC(=O)OC

InChI

InChI=1S/C16H17N3O4S/c1-9(20)17-11-5-6-12-13(7-11)24-16(18-15(22)10-3-4-10)19(12)8-14(21)23-2/h5-7,10H,3-4,8H2,1-2H3,(H,17,20)