2-(1,3-benzothiazol-2-yl)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]acetonitrile Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C27H20N2O3S/c1-16-8-10-22-19(12-16)18(20(15-28)27-29-21-6-4-5-7-26(21)33-27)14-24(32-22)17-9-11-23(30-2)25(13-17)31-3/h4-14H,1-3H3