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

Systemtic Name: ethyl 2-[6-methyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methyl-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methyl-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methyl-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O5S3/c1-3-29-18(25)13-23-15-9-8-14(2)12-17(15)31-21(23)22-20(26)16-6-4-10-24(16)32(27,28)19-7-5-11-30-19/h5,7-9,11-12,16H,3-4,6,10,13H2,1-2H3