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

Systemtic Name: methyl 2-[(2Z)-6-ethyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-ethyl-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-ethyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-6-ethyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-ethyl-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H16N2O4S3 MolecularWeight: 396.50424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=CS3)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=CS3)/S2)CC(=O)OC

InChI

InChI=1S/C16H16N2O4S3/c1-3-11-6-7-12-13(9-11)24-16(18(12)10-14(19)22-2)17-25(20,21)15-5-4-8-23-15/h4-9H,3,10H2,1-2H3/b17-16-