1-cyclohexyl-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 1-cyclohexyl-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-allyloxyphenyl)-1-cyclohexyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1-cyclohexyl-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1-cyclohexyl-3-methyl-4-(4-prop-2-enoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-allyloxyphenyl)-1-cyclohexyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3CCCCC3)C4=CC=C(C=C4)OCC=C

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3CCCCC3)C4=CC=C(C=C4)OCC=C

InChI

InChI=1S/C22H27N3O2S/c1-3-13-27-18-11-9-16(10-12-18)21-20-15(2)24-25(17-7-5-4-6-8-17)22(20)23-19(26)14-28-21/h3,9-12,17,21,24H,1,4-8,13-14H2,2H3