methyl 2-[5,6-dimethyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethyl-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethyl-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethyl-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)N2CC(=O)OC

InChI

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