4-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H19N3O3S/c1-9-14-15(10-5-6-11(21-3)12(7-10)22-4)23-8-13(20)17-16(14)19(2)18-9/h5-7,15,18H,8H2,1-4H3