1-methyl-5-(2-sulfanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-5-(2-sulfanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-(2-thioxospiro[1H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)pyrrole-2-carbonitrile CAS Name: 1-methyl-5-(2-sulfanylidene-6-spiro[1H-3,1-benzoxazine-4,1'-cyclopentane]yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(2-sulfanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)pyrrole-2-carbonitrile Traditional Name: 1-methyl-5-(2-thioxospiro[1H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)pyrrole-2-carbonitrile Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=S)OC34CCCC4)C#N

Isomeric SMILES

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=S)OC34CCCC4)C#N

InChI

InChI=1S/C18H17N3OS/c1-21-13(11-19)5-7-16(21)12-4-6-15-14(10-12)18(8-2-3-9-18)22-17(23)20-15/h4-7,10H,2-3,8-9H2,1H3,(H,20,23)