5-(4-methyl-2-oxidanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-(4-methyl-2-oxidanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[4-methyl-2-oxo-4-(2-thienyl)-1H-3,1-benzoxazin-6-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-(4-methyl-2-oxo-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(4-methyl-2-oxo-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-4-methyl-4-(2-thienyl)-1H-3,1-benzoxazin-6-yl]-1H-pyrrole-2-carbonitrile Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)O1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)O1)C4=CC=CS4

InChI

InChI=1S/C18H13N3O2S/c1-18(16-3-2-8-24-16)13-9-11(14-7-5-12(10-19)20-14)4-6-15(13)21-17(22)23-18/h2-9,20H,1H3,(H,21,22)