N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide Formula: C20H13N3O4S2 MolecularWeight: 423.46492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CC#C

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CC#C

InChI

InChI=1S/C20H13N3O4S2/c1-3-9-22-18-14(27-2)5-4-6-16(18)29-20(22)21-19(24)17-11-12-10-13(23(25)26)7-8-15(12)28-17/h1,4-8,10-11H,9H2,2H3