ethyl 2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(S3)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NN=C(S3)N

InChI

InChI=1S/C18H18N4O3S3/c1-3-25-16(24)12-9-13(11-7-5-4-6-8-11)27-15(12)20-14(23)10(2)26-18-22-21-17(19)28-18/h4-10H,3H2,1-2H3,(H2,19,21)(H,20,23)