methyl 3-(2-cyclopropylcarbonylimino-6-ethyl-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-cyclopropylcarbonylimino-6-ethyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[2-(cyclopropanecarbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[cyclopropyl(oxo)methyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(cyclopropanecarbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(cyclopropanecarbonylimino)-6-ethyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)CCC(=O)OC

InChI

InChI=1S/C17H20N2O3S/c1-3-11-4-7-13-14(10-11)23-17(18-16(21)12-5-6-12)19(13)9-8-15(20)22-2/h4,7,10,12H,3,5-6,8-9H2,1-2H3