2-azanyl-4-[4-[(4-chloranyl-2-methyl-phenoxy)methyl]-5-methyl-thiophen-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-[(4-chloranyl-2-methyl-phenoxy)methyl]-5-methyl-thiophen-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-chloro-2-methyl-phenoxy)methyl]-5-methyl-2-thienyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-chloro-2-methyl-phenoxy)methyl]-5-methyl-2-thienyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C25H25ClN2O3S MolecularWeight: 468.9956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=C(SC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=C(SC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C

InChI

InChI=1S/C25H25ClN2O3S/c1-13-7-16(26)5-6-19(13)30-12-15-8-21(32-14(15)2)22-17(11-27)24(28)31-20-10-25(3,4)9-18(29)23(20)22/h5-8,22H,9-10,12,28H2,1-4H3