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

Systemtic Name: ethyl 4-[4-azanyl-5-(oxolan-2-ylmethylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-(tetrahydrofuran-2-ylmethylcarbamoyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[oxo-(2-oxolanylmethylamino)methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(oxolan-2-ylmethylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(tetrahydrofurfurylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3CCCO3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3CCCO3)N

InChI

InChI=1S/C18H21N3O4S2/c1-2-24-17(23)11-5-7-12(8-6-11)21-15(19)14(27-18(21)26)16(22)20-10-13-4-3-9-25-13/h5-8,13H,2-4,9-10,19H2,1H3,(H,20,22)