methyl 2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate

Systemtic Name: methyl 2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Openeye Name: methyl 3-(1,3-benzothiazol-2-yl)-2-imino-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-3-(1,3-benzothiazol-2-yl)-2-imino-5-methyl-3H-pyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazol-2-yl)-2-imino-5-methyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-imino-2-methyl-1-(phenylcarbamoylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=N)N1NC(=O)NC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=N)N1NC(=O)NC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C21H19N5O3S/c1-12-16(20(27)29-2)17(19-24-14-10-6-7-11-15(14)30-19)18(22)26(12)25-21(28)23-13-8-4-3-5-9-13/h3-11,17,22H,1-2H3,(H2,23,25,28)