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ethyl 3-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)oxycarbonyl-phenyl-amino]propanoate

ethyl 3-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)oxycarbonyl-phenyl-amino]propanoate

Systemtic Name:ethyl 3-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)oxycarbonyl-phenyl-amino]propanoate
Openeye Name:ethyl 3-[N-[(1-methyl-2-thioxo-3H-benzimidazol-5-yl)oxycarbonyl]anilino]propanoate
CAS Name:3-(N-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)oxy-oxomethyl]anilino)propanoic acid ethyl ester
IUPAC Name:ethyl 3-[N-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)oxycarbonyl]anilino]propanoate
Traditional Name:3-[N-[(1-methyl-2-thioxo-3H-benzimidazol-5-yl)oxycarbonyl]anilino]propionic acid ethyl ester
Formula: C20H21N3O4S
MolecularWeight: 399.46344
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=S)N3)C


Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=S)N3)C


InChI

InChI=1S/C20H21N3O4S/c1-3-26-18(24)11-12-23(14-7-5-4-6-8-14)20(25)27-15-9-10-17-16(13-15)21-19(28)22(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,21,28)


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