3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromene-4-carbonitrile; N-ethylethanamine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromene-4-carbonitrile; N-ethylethanamine Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-oxo-chromene-4-carbonitrile; N-ethylethanamine CAS Name: 3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-4-carbonitrile; N-ethylethanamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-oxochromene-4-carbonitrile; N-ethylethanamine Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-keto-chromene-4-carbonitrile; diethylamine Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCNCC.C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C17H8N2O2S.C4H11N/c18-9-11-10-5-1-3-7-13(10)21-17(20)15(11)16-19-12-6-2-4-8-14(12)22-16;1-3-5-4-2/h1-8H;5H,3-4H2,1-2H3