2-azanyl-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(1,3-benzoxazol-2-ylthio)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(1,3-benzoxazol-2-ylthio)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)C)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C28H27N3O3S/c1-15-9-17(14-35-27-31-20-7-5-6-8-22(20)34-27)16(2)18(10-15)24-19(13-29)26(30)33-23-12-28(3,4)11-21(32)25(23)24/h5-10,24H,11-12,14,30H2,1-4H3