methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H15ClN2O5S3 MolecularWeight: 446.9487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(S3)Cl)/S2)CC(=O)OC

InChI

InChI=1S/C16H15ClN2O5S3/c1-3-24-10-4-5-11-12(8-10)25-16(19(11)9-14(20)23-2)18-27(21,22)15-7-6-13(17)26-15/h4-8H,3,9H2,1-2H3/b18-16-