6-[(5S)-5-(2-methoxy-5-nitro-phenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5S)-5-(2-methoxy-5-nitro-phenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5S)-5-(2-methoxy-5-nitro-phenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5S)-5-(2-methoxy-5-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5S)-5-(2-methoxy-5-nitrophenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5S)-5-(2-methoxy-5-nitro-phenyl)-1,3,4-thiadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C2NNC(=C3C=CC=CC3=O)S2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])[C@H]2NNC(=C3C=CC=CC3=O)S2

InChI

InChI=1S/C15H13N3O4S/c1-22-13-7-6-9(18(20)21)8-11(13)15-17-16-14(23-15)10-4-2-3-5-12(10)19/h2-8,15-17H,1H3/t15-/m0/s1