ethyl 2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H13N3O4S3 MolecularWeight: 407.48712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H13N3O4S3/c1-2-23-15(22)11-9(10-4-3-5-25-10)7-26-14(11)17-6-8-12(20)18-16(24)19-13(8)21/h3-7,17H,2H2,1H3,(H2,18,19,20,21,24)