2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C16H16ClN3O4S3 MolecularWeight: 445.96394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H16ClN3O4S3/c1-3-24-10-4-5-11-12(8-10)25-16(18-11)19-14(21)9-20(2)27(22,23)15-7-6-13(17)26-15/h4-8H,3,9H2,1-2H3,(H,18,19,21)