S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate CAS Name: 2,3,4-trimethoxybenzenecarbothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate Traditional Name: 2,3,4-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=C(C(=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCC(=O)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCC(=O)N)OC)OC

InChI

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