2-azanyl-4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[5-(1,3-benzothiazol-2-yl)-2-furyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[5-(1,3-benzothiazol-2-yl)-2-furanyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[5-(1,3-benzothiazol-2-yl)-2-furyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=NC5=CC=CC=C5S4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=NC5=CC=CC=C5S4)C(=O)C1

InChI

InChI=1S/C21H15N3O3S/c22-10-11-18(19-13(25)5-3-6-14(19)27-20(11)23)15-8-9-16(26-15)21-24-12-4-1-2-7-17(12)28-21/h1-2,4,7-9,18H,3,5-6,23H2