ethyl 4-[[1-cyclopropyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: ethyl 4-[[1-cyclopropyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: ethyl 4-[(1-cyclopropyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(1-cyclopropyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid ethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3

InChI

InChI=1S/C17H17N3O4S/c1-2-24-16(23)10-3-5-11(6-4-10)18-9-13-14(21)19-17(25)20(15(13)22)12-7-8-12/h3-6,9,12,18H,2,7-8H2,1H3,(H,19,21,25)