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

Systemtic Name: methyl 2-[(2Z)-6-butyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-butyl-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-butyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-6-butyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-butyl-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=CS3)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=CS3)/S2)CC(=O)OC

InChI

InChI=1S/C18H20N2O4S3/c1-3-4-6-13-8-9-14-15(11-13)26-18(20(14)12-16(21)24-2)19-27(22,23)17-7-5-10-25-17/h5,7-11H,3-4,6,12H2,1-2H3/b19-18-