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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)N3CCCC3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)N3CCCC3)N

InChI

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