(4S)-2-azanyl-6-hexyl-7-oxidanyl-4-thiophen-2-yl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-6-hexyl-7-oxidanyl-4-thiophen-2-yl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-(2-thienyl)-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-thiophen-2-yl-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-thiophen-2-yl-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-(2-thienyl)-4H-chromene-3-carbonitrile Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(C(=C(O2)N)C#N)C3=CC=CS3)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)[C@@H](C(=C(O2)N)C#N)C3=CC=CS3)O

InChI

InChI=1S/C20H22N2O2S/c1-2-3-4-5-7-13-10-14-17(11-16(13)23)24-20(22)15(12-21)19(14)18-8-6-9-25-18/h6,8-11,19,23H,2-5,7,22H2,1H3/t19-/m0/s1