ethyl 4-(4-azanyl-5-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)benzoate

Systemtic Name: ethyl 4-(4-azanyl-5-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)benzoate Openeye Name: ethyl 4-[4-amino-5-(pyrrolidine-1-carbonyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[oxo(1-pyrrolidinyl)methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(pyrrolidine-1-carbonyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCC3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCC3)N

InChI

InChI=1S/C17H19N3O3S2/c1-2-23-16(22)11-5-7-12(8-6-11)20-14(18)13(25-17(20)24)15(21)19-9-3-4-10-19/h5-8H,2-4,9-10,18H2,1H3