(7S)-2-[2-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-7-methyl-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: (7S)-2-[2-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-7-methyl-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: (7S)-2-[2-(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-7-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: (7S)-2-[2-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-7-methyl-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: (7S)-2-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-7-methyl-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: (7S)-2-[2-(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)ethylidene]-7-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=CC=C4C=C(C(=O)C(=C4)OC)OC)N3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=CC=C4C=C(C(=O)C(=C4)OC)OC)N3

InChI

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