ethyl 4-[4-azanyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCC4=CC=CC=C4C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCC4=CC=CC=C4C3)N

InChI

InChI=1S/C22H21N3O3S2/c1-2-28-21(27)15-7-9-17(10-8-15)25-19(23)18(30-22(25)29)20(26)24-12-11-14-5-3-4-6-16(14)13-24/h3-10H,2,11-13,23H2,1H3