methyl 3-[4-azanyl-5-(cyclopentylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-azanyl-5-(cyclopentylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methyl-benzoate Openeye Name: methyl 3-[4-amino-5-(cyclopentylcarbamoyl)-2-thioxo-thiazol-3-yl]-4-methyl-benzoate CAS Name: 3-[4-amino-5-[(cyclopentylamino)-oxomethyl]-2-sulfanylidene-3-thiazolyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-amino-5-(cyclopentylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzoate Traditional Name: 3-[4-amino-5-(cyclopentylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]-4-methyl-benzoic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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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)NC3CCCC3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N2C(=C(SC2=S)C(=O)NC3CCCC3)N

InChI

InChI=1S/C18H21N3O3S2/c1-10-7-8-11(17(23)24-2)9-13(10)21-15(19)14(26-18(21)25)16(22)20-12-5-3-4-6-12/h7-9,12H,3-6,19H2,1-2H3,(H,20,22)