N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC(=O)C(=C4NC5=CC=CC=C5S4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC(=O)/C(=C/4\NC5=CC=CC=C5S4)/C=C3

InChI

InChI=1S/C25H23N3O4S2/c1-16-8-11-18(12-9-16)34(31,32)28-14-4-6-21(28)24(30)26-17-10-13-19(22(29)15-17)25-27-20-5-2-3-7-23(20)33-25/h2-3,5,7-13,15,21,27H,4,6,14H2,1H3,(H,26,30)/b25-19+