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

Systemtic Name: ethyl 2-[2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S3/c1-2-28-17(24)13-22-14-7-3-4-9-16(14)30-20(22)21-19(25)15-8-5-11-23(15)31(26,27)18-10-6-12-29-18/h3-4,6-7,9-10,12,15H,2,5,8,11,13H2,1H3