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

Systemtic Name: (4S)-2-azanyl-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[4-(1-benzimidazolylmethyl)-2-thiophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CS3)CN4C=NC5=CC=CC=C54)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=CS3)CN4C=NC5=CC=CC=C54)C(=O)C1

InChI

InChI=1S/C22H18N4O2S/c23-9-14-20(21-17(27)6-3-7-18(21)28-22(14)24)19-8-13(11-29-19)10-26-12-25-15-4-1-2-5-16(15)26/h1-2,4-5,8,11-12,20H,3,6-7,10,24H2/t20-/m1/s1