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

Systemtic Name: methyl 2-[6-butyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H27N3O5S3 MolecularWeight: 521.67258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OC

InChI

InChI=1S/C23H27N3O5S3/c1-3-4-7-16-10-11-17-19(14-16)33-23(25(17)15-20(27)31-2)24-22(28)18-8-5-12-26(18)34(29,30)21-9-6-13-32-21/h6,9-11,13-14,18H,3-5,7-8,12,15H2,1-2H3