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

Systemtic Name: methyl 2-[(2Z)-6-propan-2-yl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18N2O4S3 MolecularWeight: 410.53082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S3/c1-11(2)12-6-7-13-14(9-12)25-17(19(13)10-15(20)23-3)18-26(21,22)16-5-4-8-24-16/h4-9,11H,10H2,1-3H3/b18-17-