(4R,4'S)-1'-(3-chlorophenyl)-4'-(4-methoxyphenyl)-3'-phenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one

Systemtic Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-methoxyphenyl)-3'-phenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Openeye Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-methoxyphenyl)-3'-phenyl-spiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one CAS Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-methoxyphenyl)-3'-phenyl-5-spiro[2,3-dihydro-1-benzothiepin-4,5'-4H-pyrazole]one IUPAC Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-methoxyphenyl)-3'-phenylspiro[2,3-dihydro-1-benzothiepine-4,5'-4H-pyrazole]-5-one Traditional Name: (4R,4'S)-1'-(3-chlorophenyl)-4'-(4-methoxyphenyl)-3'-phenyl-spiro[2,3-dihydro-1-benzothiepin-4,5'-2-pyrazoline]-5-one Formula: C31H25ClN2O2S MolecularWeight: 525.0604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=NN(C23CCSC4=CC=CC=C4C3=O)C5=CC(=CC=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C(=NN([C@]23CCSC4=CC=CC=C4C3=O)C5=CC(=CC=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C31H25ClN2O2S/c1-36-25-16-14-21(15-17-25)28-29(22-8-3-2-4-9-22)33-34(24-11-7-10-23(32)20-24)31(28)18-19-37-27-13-6-5-12-26(27)30(31)35/h2-17,20,28H,18-19H2,1H3/t28-,31-/m1/s1