3-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide CAS Name: 3-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-methoxy-2-naphthamide Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC#C

InChI

InChI=1S/C23H18N2O4S2/c1-4-11-25-19-10-9-17(31(3,27)28)14-21(19)30-23(25)24-22(26)18-12-15-7-5-6-8-16(15)13-20(18)29-2/h1,5-10,12-14H,11H2,2-3H3