S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate CAS Name: 2,4,5-trimethoxybenzenecarbothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Traditional Name: 2,4,5-trimethoxythiobenzoic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)SC2=CC=CC=C2C(=O)NCC(=O)N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)SC2=CC=CC=C2C(=O)NCC(=O)N)OC)OC

InChI

InChI=1S/C19H20N2O6S/c1-25-13-9-15(27-3)14(26-2)8-12(13)19(24)28-16-7-5-4-6-11(16)18(23)21-10-17(20)22/h4-9H,10H2,1-3H3,(H2,20,22)(H,21,23)