(7S)-2-[2-(3-chloranyl-5-ethoxy-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-chloranyl-5-ethoxy-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-chloro-5-ethoxy-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-chloro-5-ethoxy-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-chloro-5-ethoxy-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-(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-7-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C2NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CC=C2NC3=C(C4=C(S3)C[C@H](CC4)C)C(=O)N2)C=C(C1=O)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-3-27-15-10-12(9-14(22)19(15)25)5-7-17-23-20(26)18-13-6-4-11(2)8-16(13)28-21(18)24-17/h5,7,9-11,24H,3-4,6,8H2,1-2H3,(H,23,26)/t11-/m0/s1