ethyl 2-[(2Z)-6-methylsulfanyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-6-methylsulfanyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-6-methylsulfanyl-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-(methylthio)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-6-methylsulfanyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-(methylthio)-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H16N2O4S4 MolecularWeight: 428.56924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)SC)S/C1=N\S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H16N2O4S4/c1-3-22-14(19)10-18-12-7-6-11(23-2)9-13(12)25-16(18)17-26(20,21)15-5-4-8-24-15/h4-9H,3,10H2,1-2H3/b17-16-