N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxo-chromene-3-carboxamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxochromene-3-carboxamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-keto-chromene-3-carboxamide Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H16N2O3S2/c1-11-6-7-13-14(8-11)21(27)28-19(16(13)10-22)23-18(24)15-9-12-4-2-3-5-17(12)26-20(15)25/h2-5,9,11H,6-8H2,1H3,(H,23,24)