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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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