N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C17H17N3O3S2/c1-3-23-11-6-7-12-14(9-11)25-17(18-12)24-10-15(21)19-16(22)13-5-4-8-20(13)2/h4-9H,3,10H2,1-2H3,(H,19,21,22)