N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-(2-thienyl)butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(2-thienyl)butyramide Formula: C16H14N2O4S3 MolecularWeight: 394.48836

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H14N2O4S3/c1-25(21,22)10-4-5-11-14(9-10)24-16(17-11)18-15(20)7-6-12(19)13-3-2-8-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,18,20)