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

Systemtic Name: methyl 2-[6-ethoxy-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H23N3O6S3 MolecularWeight: 509.61882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OC

InChI

InChI=1S/C21H23N3O6S3/c1-3-30-14-8-9-15-17(12-14)32-21(23(15)13-18(25)29-2)22-20(26)16-6-4-10-24(16)33(27,28)19-7-5-11-31-19/h5,7-9,11-12,16H,3-4,6,10,13H2,1-2H3