2-[(E)-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C=NC3=C(C4=C(S3)CCCC4)C#N)SC(=O)O2

Isomeric SMILES

COC1=C2C(=CC(=C1)/C=N/C3=C(C4=C(S3)CCCC4)C#N)SC(=O)O2

InChI

InChI=1S/C18H14N2O3S2/c1-22-13-6-10(7-15-16(13)23-18(21)25-15)9-20-17-12(8-19)11-4-2-3-5-14(11)24-17/h6-7,9H,2-5H2,1H3/b20-9+