ethyl 4-[4-azanyl-5-[(2-methoxyphenyl)methylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-[(2-methoxyphenyl)methylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-[(2-methoxyphenyl)methylcarbamoyl]-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[[(2-methoxyphenyl)methylamino]-oxomethyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-[(2-methoxyphenyl)methylcarbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(o-anisylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CC=C3OC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CC=C3OC)N

InChI

InChI=1S/C21H21N3O4S2/c1-3-28-20(26)13-8-10-15(11-9-13)24-18(22)17(30-21(24)29)19(25)23-12-14-6-4-5-7-16(14)27-2/h4-11H,3,12,22H2,1-2H3,(H,23,25)