ethyl 2-[4,7-dimethoxy-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,7-dimethoxy-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,7-dimethoxy-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,7-dimethoxy-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,7-dimethoxy-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H25N3O7S3 MolecularWeight: 539.6448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)OC)OC

InChI

InChI=1S/C22H25N3O7S3/c1-4-32-17(26)13-24-19-15(30-2)9-10-16(31-3)20(19)34-22(24)23-21(27)14-7-5-11-25(14)35(28,29)18-8-6-12-33-18/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3