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

Systemtic Name: ethyl 2-[6-propan-2-yl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-isopropyl-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-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-propan-2-yl-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H27N3O5S3 MolecularWeight: 521.67258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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