4-azanylspiro[5H-1,5-benzothiazepine-2,2'-chromene]-3-carbonitrile

Systemtic Name: 4-azanylspiro[5H-1,5-benzothiazepine-2,2'-chromene]-3-carbonitrile Openeye Name: 4-aminospiro[5H-1,5-benzothiazepine-2,2'-chromene]-3-carbonitrile CAS Name: 4'-amino-3'-spiro[1-benzopyran-2,2'-5H-1,5-benzothiazepine]carbonitrile IUPAC Name: 4-aminospiro[5H-1,5-benzothiazepine-2,2'-chromene]-3-carbonitrile Traditional Name: 4-aminospiro[5H-1,5-benzothiazepine-2,2'-chromene]-3-carbonitrile Formula: C18H13N3OS MolecularWeight: 319.38032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3(O2)C(=C(NC4=CC=CC=C4S3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3(O2)C(=C(NC4=CC=CC=C4S3)N)C#N

InChI

InChI=1S/C18H13N3OS/c19-11-13-17(20)21-14-6-2-4-8-16(14)23-18(13)10-9-12-5-1-3-7-15(12)22-18/h1-10,21H,20H2