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

Systemtic Name: methyl 3-(6-bromanyl-2-cyclopropylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[6-bromo-2-(cyclopropanecarbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-bromo-2-[cyclopropyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-bromo-2-(cyclopropanecarbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-bromo-2-(cyclopropanecarbonylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C15H15BrN2O3S MolecularWeight: 383.2602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CC3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CC3

InChI

InChI=1S/C15H15BrN2O3S/c1-21-13(19)6-7-18-11-5-4-10(16)8-12(11)22-15(18)17-14(20)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3