(4S)-2-azanyl-4-(5-butyl-4-nitro-thiophen-2-yl)-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(5-butyl-4-nitro-thiophen-2-yl)-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(5-butyl-4-nitro-2-thienyl)-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(5-butyl-4-nitro-2-thiophenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(5-butyl-4-nitro-2-thienyl)-7-hydroxy-4H-chromene-3-carbonitrile Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(S1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(S1)[C@H]2C3=C(C=C(C=C3)O)OC(=C2C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-2-3-4-15-13(21(23)24)8-16(26-15)17-11-6-5-10(22)7-14(11)25-18(20)12(17)9-19/h5-8,17,22H,2-4,20H2,1H3/t17-/m0/s1