methyl 3-[2-(5-chloranylthiophen-2-yl)carbonylimino-5-methoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(5-chloranylthiophen-2-yl)carbonylimino-5-methoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(5-chlorothiophene-2-carbonyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-5-methoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5-chlorothiophene-2-carbonyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(5-chlorothiophene-2-carbonyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C17H15ClN2O4S2 MolecularWeight: 410.895

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC=C(S3)Cl)N2CCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC=C(S3)Cl)N2CCC(=O)OC

InChI

InChI=1S/C17H15ClN2O4S2/c1-23-10-3-4-12-11(9-10)20(8-7-15(21)24-2)17(26-12)19-16(22)13-5-6-14(18)25-13/h3-6,9H,7-8H2,1-2H3