[(1S)-1-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] 4-methoxybenzoate

Systemtic Name: [(1S)-1-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] 4-methoxybenzoate Openeye Name: [(1S)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S)-1-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)OC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N2O4S/c1-11-4-9-15-16(10-11)28-20-17(15)19(24)22-18(23-20)12(2)27-21(25)13-5-7-14(26-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,23,24)/t11-,12-/m0/s1