ethyl 5-chloranyl-2-[[3-[(4-methoxyphenyl)-methyl-amino]-3-sulfanylidene-propanoyl]-methyl-amino]benzoate

Systemtic Name: ethyl 5-chloranyl-2-[[3-[(4-methoxyphenyl)-methyl-amino]-3-sulfanylidene-propanoyl]-methyl-amino]benzoate Openeye Name: ethyl 5-chloro-2-[[3-(4-methoxy-N-methyl-anilino)-3-thioxo-propanoyl]-methyl-amino]benzoate CAS Name: 5-chloro-2-[[3-(4-methoxy-N-methylanilino)-1-oxo-3-sulfanylidenepropyl]-methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[3-(4-methoxy-N-methylanilino)-3-sulfanylidenepropanoyl]-methylamino]benzoate Traditional Name: 5-chloro-2-[[3-(4-methoxy-N-methyl-anilino)-3-thioxo-propanoyl]-methyl-amino]benzoic acid ethyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)Cl)N(C)C(=O)CC(=S)N(C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)Cl)N(C)C(=O)CC(=S)N(C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23ClN2O4S/c1-5-28-21(26)17-12-14(22)6-11-18(17)24(3)19(25)13-20(29)23(2)15-7-9-16(27-4)10-8-15/h6-12H,5,13H2,1-4H3