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

Systemtic Name: 2-azanyl-4-[4-[(4-bromanylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN2O3S/c1-4-20-14(13-30-16-7-5-15(26)6-8-16)9-21(32-20)22-17(12-27)24(28)31-19-11-25(2,3)10-18(29)23(19)22/h5-9,22H,4,10-11,13,28H2,1-3H3