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methyl 3-[(3-methanethioyl-2-methyl-1H-indol-5-yl)oxycarbonyl-phenyl-amino]propanoate

methyl 3-[(3-methanethioyl-2-methyl-1H-indol-5-yl)oxycarbonyl-phenyl-amino]propanoate

Systemtic Name:methyl 3-[(3-methanethioyl-2-methyl-1H-indol-5-yl)oxycarbonyl-phenyl-amino]propanoate
Openeye Name:methyl 3-[N-[(3-methanethioyl-2-methyl-1H-indol-5-yl)oxycarbonyl]anilino]propanoate
CAS Name:3-(N-[(3-methanethioyl-2-methyl-1H-indol-5-yl)oxy-oxomethyl]anilino)propanoic acid methyl ester
IUPAC Name:methyl 3-[N-[(3-methanethioyl-2-methyl-1H-indol-5-yl)oxycarbonyl]anilino]propanoate
Traditional Name:3-[N-[(2-methyl-3-thioformyl-1H-indol-5-yl)oxycarbonyl]anilino]propionic acid methyl ester
Formula: C21H20N2O4S
MolecularWeight: 396.4595
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC(=O)N(CCC(=O)OC)C3=CC=CC=C3)C=S


Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC(=O)N(CCC(=O)OC)C3=CC=CC=C3)C=S


InChI

InChI=1S/C21H20N2O4S/c1-14-18(13-28)17-12-16(8-9-19(17)22-14)27-21(25)23(11-10-20(24)26-2)15-6-4-3-5-7-15/h3-9,12-13,22H,10-11H2,1-2H3


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