(4R,4'S)-1',3'-diphenyl-4'-thiophen-2-yl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one

Systemtic Name: (4R,4'S)-1',3'-diphenyl-4'-thiophen-2-yl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Openeye Name: (4R,4'S)-1',3'-diphenyl-4'-(2-thienyl)spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one CAS Name: (4R,4'S)-1',3'-diphenyl-4'-thiophen-2-yl-5-spiro[2,3-dihydro-1-benzothiepin-4,5'-4H-pyrazole]one IUPAC Name: (4R,4'S)-1',3'-diphenyl-4'-thiophen-2-ylspiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Traditional Name: (4R,4'S)-1',3'-diphenyl-4'-(2-thienyl)spiro[2,3-dihydro-1-benzothiepin-4,5'-2-pyrazoline]-5-one Formula: C28H22N2OS2 MolecularWeight: 466.61708

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C(=O)C13C(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1CSC2=CC=CC=C2C(=O)[C@]13[C@@H](C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C28H22N2OS2/c31-27-22-14-7-8-15-23(22)33-19-17-28(27)25(24-16-9-18-32-24)26(20-10-3-1-4-11-20)29-30(28)21-12-5-2-6-13-21/h1-16,18,25H,17,19H2/t25-,28-/m1/s1