methyl 2-[1-[5-(cyclopropylcarbonylamino)-3-methyl-thiophen-2-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[5-(cyclopropylcarbonylamino)-3-methyl-thiophen-2-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carbonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[5-[[cyclopropyl(oxo)methyl]amino]-3-methyl-2-thiophenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carbonyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carbonyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)N3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)N3CCNC(=O)C3CC(=O)OC

InChI

InChI=1S/C17H21N3O5S/c1-9-7-12(19-15(22)10-3-4-10)26-14(9)17(24)20-6-5-18-16(23)11(20)8-13(21)25-2/h7,10-11H,3-6,8H2,1-2H3,(H,18,23)(H,19,22)