5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-propyl-thiophene-2-carbonitrile

Systemtic Name: 5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-propyl-thiophene-2-carbonitrile Openeye Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-propyl-thiophene-2-carbonitrile CAS Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-propyl-2-thiophenecarbonitrile IUPAC Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-propylthiophene-2-carbonitrile Traditional Name: 5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-4-propyl-thiophene-2-carbonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=O)OC3(C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=O)OC3(C)C

InChI

InChI=1S/C18H18N2O2S/c1-4-5-11-8-13(10-19)23-16(11)12-6-7-15-14(9-12)18(2,3)22-17(21)20-15/h6-9H,4-5H2,1-3H3,(H,20,21)