N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H24N4O5S3 MolecularWeight: 508.63406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CCOC

InChI

InChI=1S/C21H24N4O5S3/c1-14(26)22-15-7-8-16-18(13-15)32-21(24(16)10-11-30-2)23-20(27)17-5-3-9-25(17)33(28,29)19-6-4-12-31-19/h4,6-8,12-13,17H,3,5,9-11H2,1-2H3,(H,22,26)