(4S)-2-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[4-(1-benzimidazolylmethyl)-5-methyl-2-thiophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CN4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(S1)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C23H20N4O2S/c1-13-14(11-27-12-26-16-5-2-3-6-17(16)27)9-20(30-13)21-15(10-24)23(25)29-19-8-4-7-18(28)22(19)21/h2-3,5-6,9,12,21H,4,7-8,11,25H2,1H3/t21-/m1/s1