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

Systemtic Name: 2-azanyl-4-[4-[(4-chloranyl-2-methyl-phenoxy)methyl]-5-methyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-chloro-2-methyl-phenoxy)methyl]-5-methyl-2-thienyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thiophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-chloro-2-methyl-phenoxy)methyl]-5-methyl-2-thienyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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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)CCC4)N)C#N)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=C(SC(=C2)C3C(=C(OC4=C3C(=O)CCC4)N)C#N)C

InChI

InChI=1S/C23H21ClN2O3S/c1-12-8-15(24)6-7-18(12)28-11-14-9-20(30-13(14)2)21-16(10-25)23(26)29-19-5-3-4-17(27)22(19)21/h6-9,21H,3-5,11,26H2,1-2H3